1U01
High resolution NMR structure of 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 (T*represents a cyclohexenyl nucleotide)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 2.8mM; 100% D2 | 100% D2O | 0 | 7.2 | ambient | 293 | |
| 2 | 2D TOCSY | 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 2.8mM; 100% D2 | 100% D2O | 0 | 7.2 | ambient | 293 | |
| 3 | DQF-COSY | 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 2.8mM; 100% D2 | 100% D2O | 0 | 7.2 | ambient | 293 | |
| 4 | P-COSY | 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 2.8mM; 100% D2 | 100% D2O | 0 | 7.2 | ambient | 293 | |
| 5 | 2D NOESY | 5-d(GCGT*GCG)-3/5-d(CGCACGC)-3 2.8mM; 10% D20,90% H2O | 10% D20, 90% H2O | 0 | 7.2 | ambient | 283 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing followed by a molecular dynamics | Felix | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | back calculated data agree with experimental NOESY spectrum,structures with the least restraint violations |
| Conformers Calculated Total Number | 25 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | Felix | 97.0 | a |
| 2 | refinement | X-PLOR | 3.8.5 | a |
